tris(1,1,5-trihydroperfluoropentyloxy)methylphosphonium triflate | 134751-10-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: tris(1,1,5-trihydroperfluoropentyloxy)methylphosphonium triflate
• CAS: 134751-10-3
• 化学式: CF₃O₃S*C₁₆H₁₂F₂₄O₃P
• 分子量: 888.275
• InChiKey: DAWSFAGYNCNMBW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  8.99
• 重原子数：
  52.0
• 可旋转键数：
  18.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  84.89
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,2,3,3,4,4,5,5-八氟-1-戊醇 、 tris(1,1,5-trihydroperfluoropentyloxy)methylphosphonium triflate 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以68%的产率得到tetrakis(1,1,5-trihydroperfluoropentyloxy)methylphosphorane
  参考文献：
  名称：

  Tris(fluoroalkoxy)methylphosphonium salts in the synthesis of methylphosphoranes

  摘要：

  The reactions of phosphites containing electron-withdrawing fluoroalkyl groups with methyl triflate gave tris(fluoroalkoxy)methylphosphonium triflates, which react with alcohols to give either tetrakis(fluoroalkoxy)methylphosphoranes (in the case of fluoroalcohols) or alkylation products - ethers and bis(fluoroalkoxy)methylphosphonates (in the case of unsubstituted alcohols). The structures of the phosphonium salts and phosphoranes were supported by H-1 and P-31 NMR spectroscopy.

  DOI：

  10.1007/bf00958586
• 作为产物：
  描述：

  tris(2,2,3,3,4,4,5,5-octafluoropentyl) phosphite 、 三氟甲烷磺酸甲酯 反应 48.0h， 以93%的产率得到tris(1,1,5-trihydroperfluoropentyloxy)methylphosphonium triflate
  参考文献：
  名称：

  Tris(fluoroalkoxy)methylphosphonium salts in the synthesis of methylphosphoranes

  摘要：

  The reactions of phosphites containing electron-withdrawing fluoroalkyl groups with methyl triflate gave tris(fluoroalkoxy)methylphosphonium triflates, which react with alcohols to give either tetrakis(fluoroalkoxy)methylphosphoranes (in the case of fluoroalcohols) or alkylation products - ethers and bis(fluoroalkoxy)methylphosphonates (in the case of unsubstituted alcohols). The structures of the phosphonium salts and phosphoranes were supported by H-1 and P-31 NMR spectroscopy.

  DOI：

  10.1007/bf00958586